Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

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31 – 45 of 1,059 results

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2-Methyl-5-nitrobenzoic acid, 98+%

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

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PubChem CID	519683
CAS	1975-52-6
Molecular Weight (g/mol)	181.147
MDL Number	MFCD00007371
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym	2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key	DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

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Methyl 2,5-difluoro-4-nitrobenzoate, 95%

CAS: 924868-81-5 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.13 MDL Number: MFCD08689670 InChI Key: XBUVRWIIEREYFL-UHFFFAOYSA-N Synonym: methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester PubChem CID: 18526058 IUPAC Name: methyl 2,5-difluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O

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PubChem CID	18526058
CAS	924868-81-5
Molecular Weight (g/mol)	217.13
MDL Number	MFCD08689670
SMILES	COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O
Synonym	methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester
IUPAC Name	methyl 2,5-difluoro-4-nitrobenzoate
InChI Key	XBUVRWIIEREYFL-UHFFFAOYSA-N
Molecular Formula	C8H5F2NO4

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Methyl 2-hydroxy-3-nitrobenzoate, 98%

CAS: 22621-41-6 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00272263 InChI Key: NIBVYEHAFBEVFI-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l PubChem CID: 596904 SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O

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PubChem CID	596904
CAS	22621-41-6
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00272263
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])O
Synonym	methyl 2-hydroxy-3-nitrobenzoate,methyl 3-nitrosalicylate,benzoic acid, 2-hydroxy-3-nitro-, methyl ester,2-hydroxy-3-nitrobenzoic acid methyl ester,2-hydroxy-3-nitro-benzoic acid methyl ester,salicylic acid, 3-nitro-, methyl ester,methyl-3-nitrosalicylat,methyl-m-nitrosalicylate,acmc-209fxo,ksc490c4l
InChI Key	NIBVYEHAFBEVFI-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

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3-Carboxy-5-nitrobenzeneboronic acid, 97%

CAS: 101084-81-5 Molecular Formula: C7H6BNO6 Molecular Weight (g/mol): 210.936 MDL Number: MFCD00757433 InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonym: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 PubChem CID: 2773315 IUPAC Name: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O

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PubChem CID	2773315
CAS	101084-81-5
Molecular Weight (g/mol)	210.936
MDL Number	MFCD00757433
SMILES	B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
Synonym	3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139
IUPAC Name	3-borono-5-nitrobenzoic acid
InChI Key	WNIFCLWDGNHGMX-UHFFFAOYSA-N
Molecular Formula	C7H6BNO6

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2,6-Dimethoxy-3-nitrobenzoic acid, 97%

CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

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PubChem CID	3085094
CAS	55776-17-5
Molecular Weight (g/mol)	227.172
MDL Number	MFCD00017324
SMILES	COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
Synonym	2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro
IUPAC Name	2,6-dimethoxy-3-nitrobenzoic acid
InChI Key	YIKBQFPTPKEFSM-UHFFFAOYSA-N
Molecular Formula	C9H9NO6

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2-Bromo-5-nitrobenzoic acid, 98%

CAS: 943-14-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00134558 InChI Key: UVFWYVCDRKRAJH-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179 PubChem CID: 243025 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br

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PubChem CID	243025
CAS	943-14-6
Molecular Weight (g/mol)	246.016
MDL Number	MFCD00134558
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
Synonym	2-bromo-5-nitrobenzoic acid,2-bromo-5-nitrobenzic acid,benzoic acid, 2-bromo-5-nitro,2-bromo-5-nitrobenzoicacid,2-bromo-5-nitro benzoic acid,pubchem3821,acmc-209rrc,ksc494m1r,paragos 440009,timtec-bb sbb003179
InChI Key	UVFWYVCDRKRAJH-UHFFFAOYSA-N
Molecular Formula	C7H4BrNO4

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Methyl 2-hydroxy-5-nitrobenzoate, 98%

CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O

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PubChem CID	87041
CAS	17302-46-4
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00024695
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym	methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate
InChI Key	UUBFELFUKFJSRD-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

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Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

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PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

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4,5-Dimethoxy-2-nitrobenzoic acid, 98%

CAS: 4998-07-6 MDL Number: MFCD00014697

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CAS	4998-07-6
MDL Number	MFCD00014697

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2-Amino-6-nitrobenzoic acid, 97%

CAS: 50573-74-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00034785 InChI Key: GGKYLHNARFFORH-UHFFFAOYSA-N Synonym: 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d PubChem CID: 95795 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N

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PubChem CID	95795
CAS	50573-74-5
Molecular Weight (g/mol)	182.135
MDL Number	MFCD00034785
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
Synonym	2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d
InChI Key	GGKYLHNARFFORH-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

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Methyl 3-methyl-2-nitrobenzoate, 98%

CAS: 5471-82-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01003947 InChI Key: NJHDBIXFFZVJGZ-UHFFFAOYSA-N Synonym: methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate PubChem CID: 79621 IUPAC Name: methyl 3-methyl-2-nitrobenzoate SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC

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PubChem CID	79621
CAS	5471-82-9
Molecular Weight (g/mol)	195.174
MDL Number	MFCD01003947
SMILES	CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
Synonym	methyl3-methyl-2-nitrobenzoate,methyl 3-methyl-2-nitrobenzenecarboxylate,benzoic acid, 3-methyl-2-nitro-, methyl ester,2-nitro-3-methylbenzoic acid, methyl ester,3-methyl-2-nitrobenzoic acid methyl ester,pubchem10932,acmc-1ap0b,ksc495q9t,methyl 2-nitro-3-methylbenzoate,methyl 3-methyl-2-nitro-benzoate
IUPAC Name	methyl 3-methyl-2-nitrobenzoate
InChI Key	NJHDBIXFFZVJGZ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

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2-Fluoro-3-nitrobenzoic acid, 97%

CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O

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PubChem CID	18672992
CAS	317-46-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD06797825
SMILES	OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
Synonym	2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro
IUPAC Name	2-fluoro-3-nitrobenzoic acid
InChI Key	WLGUSLGYTNJJFV-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

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Methyl 2-chloro-4-nitrobenzoate, 98%, Thermo Scientific™

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PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

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3-Nitrosalicylic acid, 98%

CAS: 85-38-1 Molecular Formula: C₇H₅NO₅ Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.12
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₅

5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	4549
CAS	107254-86-4
Molecular Weight (g/mol)	300.31
ChEBI	CHEBI:34457
MDL Number	MFCD00153851
SMILES	OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
Synonym	nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814
IUPAC Name	5-nitro-2-[(3-phenylpropyl)amino]benzoic acid
InChI Key	WBSMIPAMAXNXFS-UHFFFAOYSA-N
Molecular Formula	C16H16N2O4

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